SCHEMBL2903733

SCHEMBL2903733

Cc1cccc(CN2CCN(C=CC(=O)c3c(F)cccc3F)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 5/20 0.60
HTT P42858 2/20 0.60
FAAH O00519 1/20 0.53
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPK1 P28482 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2905864 0.88 KDM4E (0.58) ALDH1A1KDM4EHTTFAAHLMNA
SCHEMBL2903324 0.88 FAAH (0.52) ALDH1A1KDM4EHTTFAAHLMNA
SCHEMBL2909991 0.86 KDM4E (0.57) ALDH1A1KDM4EHTTFAAHLMNA
SCHEMBL2906206 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EHTTFAAHLMNA
SCHEMBL2902827 0.83 FAAH (0.51) FAAHMEN1KMT2A
SCHEMBL2908745 0.82 DRD4 (0.49) ALDH1A1KDM4EHTTFAAHMEN1
SCHEMBL2908298 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL2907155 0.81 ALDH1A1 (0.56) ALDH1A1KDM4EHTTFAAHLMNA
SCHEMBL2908648 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EHTTLMNAMEN1
SCHEMBL2905333 0.79 OPRM1 (0.52) FAAHMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PEREZ MICHEL (FR) 2012-09-13 US claimed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP claimed
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2009-07-09 US claimed
EP-2041104-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS Pierre Fabre Medicament (FR) 2009-04-01 EP claimed
WO-2007147824-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 2007-12-27 WO claimed
EP-2041104-B1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR- I ANTAGONISTS PF MEDICAMENT (FR) 2010-08-18 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090176803-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885KDM4E 3494/4885HTT 2817/4885
US-20120232097-A1 CINNAMOYL-PIPERAZINE DERIVATIVES AND THEIR USE AS PAR-1 ANTAGONISTS F2R, F2RL1, F2RL3 ALDH1A1 1137/4885KDM4E 3494/4885HTT 2817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.